Next-generation structural biology: An open atlas of in-situ protein structural dynamics

Understanding protein structure is vital for studying protein function mechanisms. The Protein Data Bank (PDB), a prominent repository of protein structures, has been invaluable for 50 years. However, most PDB structures are static, and proteins' functions often involve motion and conformational changes. To achieve a comprehensive view of protein function, we introduced LiP-MS, a structural proteomics tool at ETHZ. It probes dynamic structural changes in proteins in response to various perturbations on a proteome-wide scale. This approach finds applications in biology, biomedicine, and drug development. Our objective is to establish the first open research data infrastructure for storing and sharing this unique dynamic, in situ protein structural data. The infrastructure enhances data accessibility, reusability, and findability. We'll define ORD guidelines for LiP-MS-based dynamic structural data through collaboration (Aim 1), develop an open-access, web-based repository adhering to FAIR principles (Aim 2), and populate it with dynamic structural data from approximately 25,000 proteins across six organisms. This resource will serve diverse user communities effectively.